11-hexyl-[1]benzothiolo[3,2-b]carbazole

C24H23NS — CID 71062032

IUPAC11-hexyl-[1]benzothiolo[3,2-b]carbazole
SMILESCCCCCCn1c2ccccc2c2cc3sc4ccccc4c3cc21
InChIInChI=1S/C24H23NS/c1-2-3-4-9-14-25-21-12-7-5-10-17(21)19-16-24-20(15-22(19)25)18-11-6-8-13-23(18)26-24/h5-8,10-13,15-16H,2-4,9,14H2,1H3
InChIKeyKXWKGANXPOWUEV-UHFFFAOYSA-N
MW357.52 g/mol
LogP7.74
Rot. Bonds5

About 11-hexyl-[1]benzothiolo[3,2-b]carbazole

11-hexyl-[1]benzothiolo[3,2-b]carbazole (PubChem CID 71062032) has the molecular formula C24H23NS and a molecular weight of 357.52 g/mol. Its IUPAC name is 11-hexyl-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-hexyl-[1]benzothiolo[3,2-b]carbazole
PubChem CID71062032
Molecular FormulaC24H23NS
Molecular Weight357.52 g/mol
Exact Mass357.16
IUPAC Name11-hexyl-[1]benzothiolo[3,2-b]carbazole
SMILESCCCCCCn1c2ccccc2c2cc3sc4ccccc4c3cc21
InChIInChI=1S/C24H23NS/c1-2-3-4-9-14-25-21-12-7-5-10-17(21)19-16-24-20(15-22(19)25)18-11-6-8-13-23(18)26-24/h5-8,10-13,15-16H,2-4,9,14H2,1H3
InChIKeyKXWKGANXPOWUEV-UHFFFAOYSA-N
XLogP7.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
benzene;9-octylcarbazole
CID 175067369
15-(2-decyltetradecyl)-5,25-dithia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 122382230
15-decyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242711
15-octyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242710
15-hexadecyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242745
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
9-octyl-3-[5-[5-[5-(9-octylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole
CID 134391330
5,25-didodecyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaen-15-one
CID 67958902
9-octadecyl-2-octoxycarbazole
CID 15163807

Frequently Asked Questions

What is the IUPAC name of 11-hexyl-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-hexyl-[1]benzothiolo[3,2-b]carbazole (CID 71062032) is 11-hexyl-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-hexyl-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-hexyl-[1]benzothiolo[3,2-b]carbazole is CCCCCCn1c2ccccc2c2cc3sc4ccccc4c3cc21.
What is the InChIKey of 11-hexyl-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is KXWKGANXPOWUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NS/c1-2-3-4-9-14-25-21-12-7-5-10-17(21)19-16-24-20(15-22(19)25)18-11-6-8-13-23(18)26-24/h5-8,10-13,15-16H,2-4,9,14H2,1H3.
What are the key properties of 11-hexyl-[1]benzothiolo[3,2-b]carbazole?
11-hexyl-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 357.52 g/mol, XLogP of 7.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hexyl-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 71062032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).